title: Obtaining local reciprocal lattice vectors from finite-element analysis.
abstract: Finite-element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS Workbench software is widely used for such simulations. However, although ANSYS Workbench software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X-ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double-crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.
authors.affiliation: Diamond Light Source Ltd, Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, United Kingdom. john.sutter@diamond.ac.uk
authors.forename: John P
authors.initials: JP
authors.lastname: Sutter
authors.forename: Thomas
authors.initials: T
authors.lastname: Connolley
authors.forename: Tim P
authors.initials: TP
authors.lastname: Hill
authors.forename: Houcheng
authors.initials: H
authors.lastname: Huang
authors.forename: Doug W
authors.initials: DW
authors.lastname: Sharp
authors.forename: Michael
authors.initials: M
authors.lastname: Drakopoulos
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D018360:Crystallography, X-Ray / Q000379:methods*; D005374:Filtration / Q000379:methods*; D020342:Finite Element Analysis; D008956:Models, Chemical; D012031:Refractometry / Q000379:methods*; D012542:Scattering, Radiation